2C1B

Structure of cAMP-dependent protein kinase complexed with (4R,2S)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline

2C1B の概要

• エントリーDOI: 10.2210/pdb2c1b/pdb
• 関連するPDBエントリー: 1CMK 1KMU 1KMW 1Q24 1Q61 1Q62 1Q8T 1Q8U 1Q8W 1SMH 1STC 1SVE 1SVG 1SVH 1SZM 1VEB 1YDR 1YDS 1YDT 2C1A
• 分子名称: CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE, ... (4 entities in total)
• 機能のキーワード: transferase/inhibitor, complex (transferase-inhibitor), atp-binding, camp, phosphorylation, transferase, serine/threonine-protein kinase, protein kinase inhibitor, transferase-inhibitor complex
• 由来する生物種: BOS TAURUS; 詳細
• 細胞内の位置: Cytoplasm : P00517
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 43495.96

構造登録者

Collins, I.,Caldwell, J.,Fonseca, T.,Donald, A.,Bavetsias, V.,Hunter, L.J.,Garrett, M.D.,Rowlands, M.G.,Aherne, G.W.,Davies, T.G.,Berdini, V.,Woodhead, S.J.,Seavers, L.C.A.,Wyatt, P.G.,Workman, P.,McDonald, E. (登録日: 2005-09-12, 公開日: 2005-11-02, 最終更新日: 2024-10-16)

主引用文献

Collins, I.,Caldwell, J.,Fonseca, T.,Donald, A.,Bavetsias, V.,Hunter, L.J.,Garrett, M.D.,Rowlands, M.G.,Aherne, G.W.,Davies, T.G.,Berdini, V.,Woodhead, S.J.,Davis, D.,Seavers, L.C.,Wyatt, P.G.,Workman, P.,McDonald, E.
Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.
Bioorg. Med. Chem., 14:1255-1273, 2006

PubMed Abstract: Structure-based drug design of novel isoquinoline-5-sulfonamide inhibitors of PKB as potential antitumour agents was investigated. Constrained pyrrolidine analogues that mimicked the bound conformation of linear prototypes were identified and investigated by co-crystal structure determinations with the related protein PKA. Detailed variation in the binding modes between inhibitors with similar overall conformations was observed. Potent PKB inhibitors from this series inhibited GSK3beta phosphorylation in cellular assays, consistent with inhibition of PKB kinase activity in cells.

PubMed: 16249095
DOI: 10.1016/j.bmc.2005.09.055

実験手法

X-RAY DIFFRACTION (2 Å)